2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol

C13H14Cl2N2O — CID 82528206

IUPAC2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
SMILESCc1c(C(C)(C)O)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c1-8-10(13(2,3)18)7-16-17(8)9-4-5-11(14)12(15)6-9/h4-7,18H,1-3H3
InChIKeyFEBQCADBUWOOSO-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.71
Rot. Bonds2

About 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol

2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol (PubChem CID 82528206) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
PubChem CID82528206
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
SMILESCc1c(C(C)(C)O)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c1-8-10(13(2,3)18)7-16-17(8)9-4-5-11(14)12(15)6-9/h4-7,18H,1-3H3
InChIKeyFEBQCADBUWOOSO-UHFFFAOYSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528117
2-[1-(3,5-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528188
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82527913
2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528554
1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine
CID 60866837
2-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
CID 82527513
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 54982311
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79149914
1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine
CID 66425931
3-[1-(3,4-dichlorophenyl)-5-methyltriazol-4-yl]propanoic acid
CID 82195620
1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 79149820

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol (CID 82528206) is 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol is Cc1c(C(C)(C)O)cnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol?
The InChIKey is FEBQCADBUWOOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-8-10(13(2,3)18)7-16-17(8)9-4-5-11(14)12(15)6-9/h4-7,18H,1-3H3.
What are the key properties of 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol?
2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol has a molecular weight of 285.17 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 82528206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).